2-Bromo-1-(4-fluorophenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(4-fluorophenyl)ethanone
• CAS No.: 403-29-2
• Molecular Formula: C8H6BrFO
• Molecular Weight: 217.037
• Hs Code.: 29147000
• European Community (EC) Number: 206-955-1
• NSC Number: 88343
• UNII: N3PVV2GVQ8
• DSSTox Substance ID: DTXSID20193307
• Nikkaji Number: J213.657K
• Wikidata: Q72455646
• ChEMBL ID: CHEMBL317046
• Mol file: 403-29-2.mol

Synonyms:(18F) 4-fluorophenacyl bromide;4-fluorophenacyl bromide

Chemical Property of 2-Bromo-1-(4-fluorophenyl)ethanone

Chemical Property:

• Appearance/Colour: beige to light grey-green cryst. powder or flakes
• Melting Point: 47-49 °C(lit.)
• Refractive Index: 1.5450 (estimate)
• Boiling Point: 251.9 °C at 760 mmHg
• Flash Point: 106.1 °C
• PSA: 17.07000
• Density: 1.568 g/cm³
• LogP: 2.40330
• Storage Temp.: Keep Cold
• Sensitive.: Lachrymatory
• Solubility.: Soluble in methanol.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.95861
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-4’-fluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CBr)F
• Uses: 2-Bromo-4’fluoroacetophenone is a intermediate in the synthetic preparation of competitive inhibitors of aromatase. 2-Bromo-4'-fluoroacetophenone is used as an organic chemical synthesis intermediate.

Technology Process of 2-Bromo-1-(4-fluorophenyl)ethanone

There total 15 articles about 2-Bromo-1-(4-fluorophenyl)ethanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

1-(4-fluorophenyl)ethanone (403-42-9) → 2-bromo-4'-fluoroacetophenone (403-29-2)

Guidance literature:

With bromine; In 1,4-dioxane; diethyl ether; for 0.5h; Ambient temperature;

Reference yield: 93.0%

1-(bromoethynyl)-4-fluorobenzene (95895-33-3) → 2-bromo-4'-fluoroacetophenone (403-29-2)

Guidance literature:

With 2-(dicyclohexylphosphino)-2',4',6'-triisopropylbiphenyl Au bis(trifluoromethylsulfonyl)imide; water; In 1,2-dichloro-ethane; at 20 ℃; for 14h;

DOI:10.1021/jo401437w

Reference yield: 90.0%

2,2,2-tribromo-1-(4-fluorophenyl)ethan-1-one → 2-bromo-4'-fluoroacetophenone (403-29-2)

Guidance literature:

With water; hydrogen bromide; In tetrahydrofuran; at 120 ℃;

DOI:10.1002/ejoc.202001118

upstream raw materials:

1-(4-fluorophenyl)ethanone

para-fluorostyrene

1-(bromoethynyl)-4-fluorobenzene

1-ethynyl-4-fluorobenzene

Downstream raw materials:

2-(4-fluorophenyl)-5-methylindolizine

1-(4-fluoro-phenacyl)-2,6-dimethyl-pyridinium; bromide

3-chloro-1-(4-fluoro-phenacyl)-pyridinium; bromide

2-(4-fluorophenyl)imidazo[1,2-a]pyridine

Refernces

• 1、 Beames, Joseph M.,Coles, Simon J.,Elgar, Christopher E.,Fitzgerald, Sophie A.,Horton, Peter N.,Otaif, Haleema Y.,Pope, Simon J. A.,Sawicka, Natalia. "Polysubstituted Ligand Framework for Color Tuning Phosphorescent Iridium(III) Complexes". . p. 15467 - 15484. Retrieved 2021/10/20.
• 2、 Wang, Zhihui,Wang, Lei,Wang, Zhiming,Li, Pinhua,Zhang, Yicheng. "A practical synthesis of α-bromo/iodo/chloroketones from olefins under visible-light irradiation conditions". supporting information. p. 429 - 432. Retrieved 2020/02/29.